⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL15829242 | 0.93 | — | — | |
| SCHEMBL761668 | 0.84 | — | — | |
| SCHEMBL791147 | 0.72 | — | — | |
| SCHEMBL10797718 | 0.70 | — | — | |
| SCHEMBL7627883 | 0.70 | — | — | |
| SCHEMBL27420472 | 0.70 | — | — | |
| SCHEMBL12176198 | 0.69 | — | — | |
| SCHEMBL18183406 | 0.68 | — | — | |
| SCHEMBL18183428 | 0.68 | MEN1 (0.39) | — | |
| SCHEMBL23416622 | 0.67 | MEN1 (0.36) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018098204-A1 | 6-MEMBERED URACIL ISOSTERES | CV6 THERAPEUTICS (NI) LIMITED (GB) | 2018-05-31 | — | — | WO | disclosed |
| EP-2240485-B1 | TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | TAKEDA PHARMACEUTICAL (JP) | 2014-10-15 | — | — | EP | disclosed |
| US-8138182-B2 | Diketohydrazine derivative compounds and drugs containing the compounds as the active ingredient | ONO PHARMACEUTICAL CO., LTD. (JP) | 2012-03-20 | — | — | US | disclosed |
| US-20100087442-A1 | DIKETOHYDRAZINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT | ONO PHARMACEUTICAL CO., LTD (JP) | 2010-04-08 | — | — | US | disclosed |
| WO-2004041776-A2 | SULFONYLAMINOVALEROLAC TAMS AND DERIVATIVES THEREOF AS FACTOR Xa INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-05-21 | — | — | WO | disclosed |